(2S)-2-[[(2R)-1-oxidanidyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoylamino]pentanedioate

Systemtic Name: (2S)-2-[[(2R)-1-oxidanidyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]carbamoylamino]pentanedioate Openeye Name: (2S)-2-[[(1R)-2-oxido-2-oxo-1-(sulfanylmethyl)ethyl]carbamoylamino]pentanedioate CAS Name: (2S)-2-[[[[(2R)-3-mercapto-1-oxido-1-oxopropan-2-yl]amino]-oxomethyl]amino]pentanedioate IUPAC Name: (2S)-2-[[(2R)-1-oxido-1-oxo-3-sulfanylpropan-2-yl]carbamoylamino]pentanedioate Traditional Name: (2S)-2-[[(1R)-2-keto-1-(mercaptomethyl)-2-oxido-ethyl]carbamoylamino]glutarate Formula: C9H11N2O7S-3 MolecularWeight: 291.25784

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])C(C(=O)[O-])NC(=O)NC(CS)C(=O)[O-]

Isomeric SMILES

C(CC(=O)[O-])[C@@H](C(=O)[O-])NC(=O)N[C@@H](CS)C(=O)[O-]

InChI

InChI=1S/C9H14N2O7S/c12-6(13)2-1-4(7(14)15)10-9(18)11-5(3-19)8(16)17/h4-5,19H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H2,10,11,18)/p-3/t4-,5-/m0/s1